SCHEMBL18978667

SCHEMBL18978667

CC(C)(C)OC(=O)NCCCC[C@H](NC(O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ATM Q13315 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAN2B1 O00754 1/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3754005 0.86 TDP1 (0.48) TDP1MEN1KMT2AATMGAA
SCHEMBL9931542 0.86 TDP1 (0.48) TDP1MEN1KMT2AATMGAA
SCHEMBL29400712 0.86 TDP1 (0.48) TDP1MEN1KMT2AATMGAA
SCHEMBL21901505 0.86 MEN1 (0.44) TDP1MEN1KMT2AATMGAA
SCHEMBL18206800 0.85 CA1 (0.49) TDP1MEN1KMT2AATMGAA
SCHEMBL18206801 0.85 CA1 (0.49) TDP1MEN1KMT2AATMGAA
SCHEMBL30895563 0.83 MEN1 (0.48) TDP1MEN1KMT2AATMGAA
SCHEMBL12604209 0.83 MEN1 (0.48) TDP1MEN1KMT2AATMGAA
SCHEMBL18221182 0.82 MEN1 (0.46) TDP1MEN1KMT2AATMGAA
SCHEMBL17227817 0.82 MEN1 (0.46) TDP1MEN1KMT2AATMGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017098533-A2 PROCESS FOR PREPARATION OF LISDEXAMPHETAMINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-15 — — WO disclosed
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